4O08

Crystal structure of bacillus megaterium epoxide hydrolase in complex with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-07-06
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 41 21 2
Unit cell lengths	108.541, 108.541, 116.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.830 - 1.950
R-factor	0.171
Rwork	0.170
R-free	0.20700
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.035
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	PHENIX ((PHENIX.REFINE: 1.7_637))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.523	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	51301
Completeness [%]	99.7	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2M LI2SO4, 0.1M TRIS-HCL, 2.0M (NH4) 2SO4, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K